3-(4-tert-butylphenyl)-11-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-11-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-tert-butylphenyl)-11-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8013-0822 |
| Compound Name: | 3-(4-tert-butylphenyl)-11-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 508.54 |
| Molecular Formula: | C29 H27 F3 N2 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3ccco3)N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.977 |
| logD: | 6.5245 |
| logSw: | -5.7687 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.743 |
| InChI Key: | YXJBVGKGKIRLFE-UHFFFAOYSA-N |